cyclopropyl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;cyclopropyl (2R)-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-methylthieno[3,2-b]pyridine-2-carboxylic acid

C47H47N7O10S3 — CID 161238524

About cyclopropyl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;cyclopropyl (2R)-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-methylthieno[3,2-b]pyridine-2-carboxylic acid

cyclopropyl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;cyclopropyl (2R)-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-methylthieno[3,2-b]pyridine-2-carboxylic acid (PubChem CID 161238524) has the molecular formula C47H47N7O10S3 and a molecular weight of 966.13 g/mol. Its IUPAC name is cyclopropyl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;cyclopropyl (2R)-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-methylthieno[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: cyclopropyl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;cyclopropyl (2R)-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-methylthieno[3,2-b]pyridine-2-carboxylic acid
• PubChem CID: 161238524
• Molecular Formula: C47H47N7O10S3
• Molecular Weight: 966.13 g/mol
• Exact Mass: 965.25
• IUPAC Name: cyclopropyl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;cyclopropyl (2R)-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-methylthieno[3,2-b]pyridine-2-carboxylic acid
• SMILES: Cc1ccnc2cc(C(=O)NC[C@@H](N)C(=O)OC3CC3)sc12.Cc1ccnc2cc(C(=O)NC[C@@H](NC(=O)OCc3ccccc3)C(=O)OC3CC3)sc12.Cc1ccnc2cc(C(=O)O)sc12
• InChI: InChI=1S/C23H23N3O5S.C15H17N3O3S.C9H7NO2S/c1-14-9-10-24-17-11-19(32-20(14)17)21(27)25-12-18(22(28)31-16-7-8-16)26-23(29)30-13-15-5-3-2-4-6-15;1-8-4-5-17-11-6-12(22-13(8)11)14(19)18-7-10(16)15(20)21-9-2-3-9;1-5-2-3-10-6-4-7(9(11)12)13-8(5)6/h2-6,9-11,16,18H,7-8,12-13H2,1H3,(H,25,27)(H,26,29);4-6,9-10H,2-3,7,16H2,1H3,(H,18,19);2-4H,1H3,(H,11,12)/t18-;10-;/m11./s1
• InChIKey: UZRPNELEFDKKIP-XOHZQVQUSA-N
• XLogP: 7.01
• TPSA: 251.12 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	966.13
LogP ≤ 5	7.01
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopropyl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;cyclopropyl (2R)-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-methylthieno[3,2-b]pyridine-2-carboxylic acid?

The IUPAC name of cyclopropyl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;cyclopropyl (2R)-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-methylthieno[3,2-b]pyridine-2-carboxylic acid (CID 161238524) is cyclopropyl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;cyclopropyl (2R)-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-methylthieno[3,2-b]pyridine-2-carboxylic acid.

What is the SMILES notation for cyclopropyl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;cyclopropyl (2R)-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-methylthieno[3,2-b]pyridine-2-carboxylic acid?

The canonical SMILES for cyclopropyl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;cyclopropyl (2R)-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-methylthieno[3,2-b]pyridine-2-carboxylic acid is Cc1ccnc2cc(C(=O)NC[C@@H](N)C(=O)OC3CC3)sc12.Cc1ccnc2cc(C(=O)NC[C@@H](NC(=O)OCc3ccccc3)C(=O)OC3CC3)sc12.Cc1ccnc2cc(C(=O)O)sc12.

What is the InChIKey of cyclopropyl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;cyclopropyl (2R)-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-methylthieno[3,2-b]pyridine-2-carboxylic acid?

The InChIKey is UZRPNELEFDKKIP-XOHZQVQUSA-N. The full InChI is InChI=1S/C23H23N3O5S.C15H17N3O3S.C9H7NO2S/c1-14-9-10-24-17-11-19(32-20(14)17)21(27)25-12-18(22(28)31-16-7-8-16)26-23(29)30-13-15-5-3-2-4-6-15;1-8-4-5-17-11-6-12(22-13(8)11)14(19)18-7-10(16)15(20)21-9-2-3-9;1-5-2-3-10-6-4-7(9(11)12)13-8(5)6/h2-6,9-11,16,18H,7-8,12-13H2,1H3,(H,25,27)(H,26,29);4-6,9-10H,2-3,7,16H2,1H3,(H,18,19);2-4H,1H3,(H,11,12)/t18-;10-;/m11./s1.

What are the key properties of cyclopropyl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;cyclopropyl (2R)-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-methylthieno[3,2-b]pyridine-2-carboxylic acid?

cyclopropyl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;cyclopropyl (2R)-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-methylthieno[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 966.13 g/mol, XLogP of 7.01, 14 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;cyclopropyl (2R)-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-methylthieno[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 161238524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).